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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001537

2,4-Dihydroxypyridine; ESI-QTOF; MS2; CE: 40; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001537
RECORD_TITLE: 2,4-Dihydroxypyridine; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,4-Dihydroxypyridine
CH$NAME: DTXSID90274238
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H5NO2
CH$EXACT_MASS: 111.0320284115
CH$SMILES: OC1=CC(O)=NC=C1
CH$IUPAC: InChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
CH$LINK: CAS 626-03-9
CH$LINK: INCHIKEY ZEZJPIDPVXJEME-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:54696004

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 110.0247519598
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-93615f127ce32e85cc10
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  39.024024 1.540639 15
  40.019273 2.212546 22
  41.003288 99.999998 999
  41.027098 1.948216 19
  41.998537 2.760226 27
  49.008374 6.533979 65
  64.019273 1.553826 15
  65.998537 10.120214 101
  68.014187 5.734651 57
  68.998203 1.168269 11
//

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Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

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